Ensemble Generalization of the Perdew-Zunger Self-Interaction Correction: a Way Out of Multiple Minima and Symmetry Breaking

Fuente: arXiv

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Bibliographic Details
Main Authors:	Schwalbe, Sebastian, Schulze, Wanja Timm, Trepte, Kai, Lehtola, Susi
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Computational Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2405.18394